BDBM50078033 CHEMBL3417431

SMILES: COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1

InChI Key: InChIKey=RDGLQVJTYJQSPJ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50078033   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078033 (CHEMBL3417431) Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in insect SF9 cell membranes after 2 hrs by Topcount analysis				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078033 (CHEMBL3417431) Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as reduction in LTB4 production pretreated for 15 mins followed by calcimycin ...				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078033 (CHEMBL3417431) Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Small Molecule Discovery Research, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, P.O. Box 368, Ridgefield, CT 06877-0368, USA. Electronic address: abartolozzi@gmail.com. Curated by ChEMBL					Assay Description Displacement of [125I]-L-691831 from human FLAP expressed in Sf9 cell membranes after 2 hrs by Topcount method				Bioorg Med Chem Lett 27: 4652-4659 (2017) Article DOI: 10.1016/j.bmcl.2017.09.007 BindingDB Entry DOI: 10.7270/Q2HQ42CS
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50078033 (CHEMBL3417431) Show SMILES COCCn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1 Show InChI InChI=1S/C22H23N7O2/c1-30-10-9-29-14-17(13-26-29)19-27-20(28-31-19)22(7-2-8-22)18-5-3-15(4-6-18)16-11-24-21(23)25-12-16/h3-6,11-14H,2,7-10H2,1H3,(H2,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of FLAP in calcimycin-stimulated human whole blood assessed as inhibition of LTB4 synthesis preincubated for 15 mins followed by calcimyci...				J Med Chem 58: 1669-90 (2015) Article DOI: 10.1021/jm501185j BindingDB Entry DOI: 10.7270/Q2SB47GW
					More data for this Ligand-Target Pair